HuagongsheHuagongshe Chemistry Print Report · For research reference only
CID 170846292
Identifiers & Physical Properties
| CAS No. | 85455-57-8 |
|---|---|
| Molecular formula | C27H20N4NaO5S |
| Average molar mass | 535.5 g/mol |
| Monoisotopic mass | 535.10521021 g/mol |
| SMILES | Nc1cccc(C(=O)Nc2ccc3c(O)c(N=Nc4ccc5ccccc5c4)c(S(=O)(=O)O)cc3c2)c1.[Na] |
| InChIKey | CHLWNZFQTGOLEK-UHFFFAOYSA-N |
| PubChem CID | 170846292 |
Chemical & Physical Properties
| Topological polar surface area | 163 |
|---|---|
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 5 |
| Heavy atoms | 38 |
| Formal charge | 0 |
| Complexity | 940 |